Prediction of deep eutectic solvents densities at different temperatures

Shahbaz, Kaveh; Mjalli, Farouq S.; Hashim, Mohd Ali; AlNashef, Inas M.

doi:10.1016/j.tca.2010.12.022

Cited by 209 publications

(120 citation statements)

References 19 publications

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Section: Resultssupporting

confidence: 86%

“…These differences in surface tension values might be due to the difference in water content in samples of Harris work and this work. The values of measured densities of DES2, DES5, DES8 and DES9 are almost equal to that reported in our previous work [19].To calculate the parachor of each DES, the parachors of constituting individual components (salt and HBD) of each DES were calculated using the published parachor contribution data [10]. In this study, only the accurate parachor data set (with uncertainties of less than 1%) proposed by Knotts et al [10] were employed.…”

supporting

confidence: 55%

See 1 more Smart Citation

Surface Tension of Ionic Liquids Analogues Using the QSPR Correlation

Mjalli¹,

Shahbaz²,

Hashim³

et al. 2013

IJCEA

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Abstract-Deep eutectic solvents (DESs) are mixture complexes being introduced in many applications due to their favorable physicochemical characteristics. However, due to the lack of experimental data, prediction of their physical properties is challenging. One of the important physical properties that provides considerable insight of the molecular influence on intensity of interactions in the mixture is the surface tension. In this work, the QSPR prediction method was employed to predict the DESs surface tension. The parachors of selected DESs based on ammonium and phosphunium salts were determined experimentally and also calculated from the molecular structure of their constituting components using available parachor contribution data for neutral compounds. The results showed that the calculated and experimental parachors of DESs were notably comparable and the parachor contribution data developed for neutral compounds can be successfully utilized for DESs. The calculated parachors were employed to predict the surface tension using their experimental densities values.Index Terms-Surface tension, deep eutectic solvents, prediction. I. INTRODUCTIONThe growing number of publications in Deep Eutectic Solvents (DESs) literature reveals that they are gaining much attention by the scientific community. This is due to their potential as environment friendly solvents and advantages over conventional solvents and ionic liquids such as non-toxicity, non-reactivity with water and above all being biodegradable [1]. Moreover, they are synthesized easily in high purity at low cost in contrast to Ionic liquids which are very expensive and difficult to handle [2]. One of the fascinating features of using DESs is their potential as tunable solvents that can be customized to a particular type of chemistry. Surface tension is one of the essential DESs physical properties. Its evaluation is necessary to resolve various industrial related problems and develop new separation technologies. The awareness of this property provides considerable information of the molecular influence on the intensity of interactions in the mixture. Furthermore, the surface tension plays an important role in mass transfer processes like distillation, absorption, separation and extraction [3]. The experimental values for DESs surface Manuscript received January 5, 2013; received March 9, 2013. F. S. Mjalli is with Petroleum and Chemical Engineering Department, Sultan Qaboos University, Oman (e-mail: farouqsm@yahoo.com).K. Shahbaz is with the School of Engineering, Taylor's University, 47500 Selangor, Malaysia (e-mail: shahbaz.kaveh@gmail.com).M. A. Hashim is with University of Malaya, Chemical Engineering Department, Kuala Lumpur, Malaysia (e-mail: alihashim@um.edu.my).I. M. AlNashef is with King Saud University, Chemical Engineering Department, Riyadh, Saudi Arabia (e-mail: alnashef@ksu.edu.sa). tension are either rare or even absent. It is also impractical to experimentally evaluate surface tension in many cases. Thus, prediction methods for surface tens...

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Section: Resultssupporting

confidence: 86%

supporting

confidence: 55%

Surface Tension of Ionic Liquids Analogues Using the QSPR Correlation

Mjalli¹,

Shahbaz²,

Hashim³

et al. 2013

IJCEA

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“…However, very little studies are reported for the measurement and modeling of deep eutectic solvents molar volume [8][9][10][11]. Most of the previously reported models of DES molar volume are of linear form with temperature [12][13][14][15].…”

Section: Accepted Manuscriptmentioning

confidence: 99%

“…For DES, experimental critical thermodynamic data are not available and hence they can be evaluated using group contribution methods [10]. To improve the prediction capability of equation (5) when used for DES, the equation was modified by introducing two parameters (a and b) and equation (5) was written as:…”

Section: Accepted Manuscriptmentioning

confidence: 99%

Molar volume of eutectic solvents as a function of molar composition and temperature

Mjalli

2016

Chinese Journal of Chemical Engineering

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“…[42] Diese Methoden ermçglichten durch Kombination der Konzepte von Gruppenbeitragsmethoden und künstlichen neuronalen Netzwerken die Abschätzung der Dichten für verschiedene DES-Familien. Die von Spencer und Danner [43] modifizierte Rackett-Gleichung wurde eingesetzt, um die Dichte der DESs vorauszusagen.…”

Section: Einfluss Der Zusammensetzungunclassified

Mischungen mit niedriger Übergangstemperatur (LTTMs) – eine neue Generation von Designer‐Lösungsmitteln

Francisco

Bruinhorst

Kroon³

2013

Angewandte Chemie

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Im Laufe der letzten zehn Jahre trat eine neue Generation von Designer‐Lösungsmitteln als vielversprechendes grünes Medium für viele Anwendungen, einschließlich Trennverfahren, in Erscheinung: Mischungen mit niedriger Übergangstemperatur (LTTMs, low‐transition‐temperature mixtures). Hergestellt werden sie durch Vermischen natürlicher, hochschmelzender Ausgangsmaterialien, die infolge von H‐Brücken‐Bindungen eine Flüssigkeit bilden. Die zu ihnen zählenden tiefeutektischen Lösungsmittel (DESs) werden als aussichtsreiche Alternative zu konventionellen ionischen Flüssigkeiten (ILs) vorgestellt. LTTMs können einige Grenzen der ILs überwinden und zeichnen sich zudem durch eine günstige und einfache Herstellung aus natürlichen und leicht verfügbaren Ausgangsmaterialien, Bioabbaubarkeit sowie Nachhaltigkeit aus.

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Prediction of deep eutectic solvents densities at different temperatures

Cited by 209 publications

References 19 publications

Surface Tension of Ionic Liquids Analogues Using the QSPR Correlation

Surface Tension of Ionic Liquids Analogues Using the QSPR Correlation

Molar volume of eutectic solvents as a function of molar composition and temperature

Mischungen mit niedriger Übergangstemperatur (LTTMs) – eine neue Generation von Designer‐Lösungsmitteln

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